NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.7205 8.0232 122.2786 52.1200 20.6916 175.1345 2 Y 4.6198 8.6534 117.0943 55.6625 39.9532 170.0980 3 V 4.6357 8.8148 123.1183 60.8015 36.0014 174.5566 4 I 4.0427 8.2752 120.4449 62.8651 38.5247 175.4958 5 T 3.8012 8.0516 111.7909 61.6021 70.1830 173.5140 6 E 3.8009 7.9199 118.3563 56.4911 32.1112 176.2019 7 P 4.6909 0.0000 0.0000 63.0764 30.8220 176.3453 8 C 4.5016 7.7603 121.2191 60.9386 33.4643 174.5301 9 I 3.7658 7.6698 119.8770 60.4349 38.0804 176.4479 10 G 4.8760 10.0101 127.0700 51.0100 0.0000 174.4854 11 T 3.5529 9.2572 110.2155 65.4424 65.5485 172.2872 12 K 3.6829 8.9796 132.9405 56.6670 30.2634 175.6818 13 C 4.2354 7.4613 118.0327 59.8215 32.5242 173.4014 14 A 4.3749 8.0636 126.9964 51.6898 19.4455 175.0914 15 S 4.6611 7.8988 115.5728 60.8653 70.0800 176.3672 16 C 4.3816 7.5273 114.0854 57.7728 28.6764 171.9062 17 V 3.8324 7.0919 118.1679 64.0955 32.9533 175.7033 18 E 4.5115 8.8046 114.3775 56.7407 30.3081 178.8185 19 V 4.1232 7.7740 121.2797 63.4932 33.7838 175.7944 20 C 4.1266 7.8181 121.4670 58.3821 31.7896 171.8348 21 P 4.2269 0.0000 0.0000 65.3276 30.9899 177.0155 22 V 4.2057 7.3879 115.1568 62.7435 32.6152 175.0078 23 D 4.2754 7.5181 113.5784 55.1659 39.5560 172.9997 24 C 4.8750 7.3933 111.3725 57.8804 31.4024 174.8968 25 I 4.7919 7.6617 113.4946 60.6594 38.8809 174.2865 26 H 5.0680 9.3422 124.2120 53.6875 32.8065 172.7873 27 E 4.1820 8.6867 121.0008 55.0560 30.5232 177.2797 28 G 4.0779 8.7876 113.3582 45.3664 0.0000 173.6858 29 E 3.9607 8.2061 124.3400 57.1708 29.6269 174.6413 30 D 4.5302 7.8113 117.2490 56.6391 42.0378 175.5710 31 Q 4.8683 7.4929 114.7151 54.6987 32.1337 174.0127 32 Y 4.3422 8.5398 117.6449 58.1733 39.3766 174.8447 33 Y 4.2733 9.1220 118.8977 56.3805 41.8120 174.5507 34 I 4.5982 8.1937 126.0042 60.3055 38.6297 175.3570 35 D 4.7867 8.9801 128.0016 53.2692 41.1337 175.1580 36 P 4.3164 0.0000 0.0000 66.0452 31.3937 177.6259 37 D 4.5328 9.0364 117.5977 56.0402 40.9079 177.8939 38 V 4.0234 7.7251 117.3323 63.3250 32.4285 175.8230 39 C 4.0745 7.8678 119.4668 59.8576 31.6924 173.1633 40 I 4.2115 8.2782 121.2843 62.4209 38.5511 175.3263 41 D 4.5147 8.0512 116.3208 56.7060 38.3970 172.0776 42 C 4.8110 7.4264 113.0353 57.0603 32.9891 175.0406 43 G 3.6664 7.9538 108.6213 45.0510 0.0000 174.7469 44 A 3.9585 8.0382 123.1823 54.8304 18.5989 179.8665 45 C 3.8226 7.8870 112.4736 61.5511 28.8889 175.3952 46 E 3.7251 8.0184 121.1193 58.9865 29.0058 178.4965 47 A 3.9883 7.2268 117.6817 55.1923 18.4092 179.4262 48 V 3.8231 7.6945 116.2789 64.6715 31.8336 175.7768 49 C 4.0401 8.0901 120.6038 59.0082 31.2416 171.8235 50 P 4.7952 0.0000 0.0000 63.2404 30.7124 177.5231 51 V 4.0872 7.7094 113.1809 60.8336 33.9811 173.2714 52 S 3.7908 8.7008 118.4608 58.0679 59.4898 170.3260 53 A 4.6630 8.1657 124.2400 52.3824 24.1375 176.1119 54 I 4.0521 8.0561 117.8619 61.2430 37.5723 175.2779 55 Y 4.8880 8.2695 123.9185 55.5753 42.4277 174.6517 56 H 3.7337 8.3269 120.2629 55.9912 28.9627 175.6867 57 E 3.8823 8.5794 124.1210 59.9386 28.8955 179.2013 58 D 4.6022 7.6882 117.2145 57.1975 41.4189 177.7868 59 F 4.7097 8.1230 117.5263 58.9852 39.2080 176.6562 60 V 3.8402 6.9511 117.6291 62.5518 31.8564 173.9679 61 P 4.3935 0.0000 0.0000 62.7832 32.1407 176.8072 62 E 3.9688 9.0731 121.4539 60.0497 29.1293 179.5670 63 E 3.9866 8.1560 116.4414 59.1397 29.7796 178.6890 64 W 5.1903 8.4919 116.5244 56.8902 29.7516 178.2173 65 K 4.0193 8.0495 119.4122 59.4734 31.3385 178.7747 66 S 4.1232 8.3859 115.1809 62.3125 62.7272 176.4449 67 Y 4.2078 8.3020 119.1328 60.9069 37.4708 178.6045 68 I 3.8096 7.8494 120.5176 64.3842 37.2513 177.8063 69 Q 3.9990 8.3117 120.5004 59.2137 28.7960 178.5077 70 K 3.9229 8.3168 120.5832 59.6402 32.0701 178.4117 71 N 4.7412 8.8754 115.8794 56.5216 38.9343 176.8832 72 R 4.2809 8.5310 120.3839 59.8049 29.9700 177.9319 73 D 4.2947 8.3777 116.9693 57.2926 41.2916 177.3648 74 F 3.5210 7.7807 117.7580 60.1702 38.7565 176.6692 75 F 4.7197 7.3962 115.3503 58.0913 40.3205 177.0520 76 K 4.3975 7.6507 121.0676 54.3265 30.1452 176.8916 77 K 4.0395 7.7087 122.6983 56.6934 31.9479 175.1690 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 A 8.02 4.72 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 Y 8.65 4.62 0.00 2.87 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 V 8.81 4.64 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.95 0.00 0.00 4 I 8.28 4.04 1.54 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.47 0.76 0.00 0.00 5 T 8.05 3.80 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 6 E 7.92 3.80 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.12 0.00 7 P 0.00 4.69 0.00 2.19 2.15 0.00 2.98 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.25 0.00 8 C 7.76 4.50 0.00 2.68 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.67 3.77 1.92 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.56 0.98 0.00 0.00 10 G 10.01 4.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 9.26 3.55 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 12 K 8.98 3.68 0.00 1.85 1.94 0.00 1.84 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.46 7.81 13 C 7.46 4.24 0.00 3.04 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.06 4.37 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 7.90 4.66 0.00 3.72 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 C 7.53 4.38 0.00 2.92 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.09 3.83 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 18 E 8.80 4.51 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.19 0.00 19 V 7.77 4.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.85 0.00 0.00 20 C 7.82 4.13 0.00 2.88 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.23 0.00 2.03 2.10 0.00 3.60 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 22 V 7.39 4.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.90 0.00 0.00 23 D 7.52 4.28 0.00 2.73 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 C 7.39 4.87 0.00 2.88 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.66 4.79 1.99 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.48 0.88 0.00 0.00 26 H 9.34 5.07 0.00 3.29 3.32 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.69 4.18 0.00 1.65 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 28 G 8.79 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.21 3.96 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 30 D 7.81 4.53 0.00 2.75 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 7.49 4.87 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 5.85 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 32 Y 8.54 4.34 0.00 2.83 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Y 9.12 4.27 0.00 2.79 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.19 4.60 1.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.48 0.97 0.00 0.00 35 D 8.98 4.79 0.00 2.04 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.32 0.00 2.30 2.22 0.00 4.04 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 37 D 9.04 4.53 0.00 2.80 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.73 4.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.95 0.00 0.00 39 C 7.87 4.07 0.00 3.01 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 8.28 4.21 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.72 0.96 0.00 0.00 41 D 8.05 4.51 0.00 2.88 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 C 7.43 4.81 0.00 2.98 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.95 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.04 3.96 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 C 7.89 3.82 0.00 3.04 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.02 3.73 0.00 2.08 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 47 A 7.23 3.99 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.69 3.82 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.86 0.00 0.00 49 C 8.09 4.04 0.00 2.95 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.80 0.00 2.20 2.09 0.00 3.71 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 51 V 7.71 4.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.96 0.00 0.00 52 S 8.70 3.79 0.00 4.11 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.17 4.66 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.06 4.05 1.80 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.42 0.91 0.00 0.00 55 Y 8.27 4.89 0.00 3.02 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.33 3.73 0.00 1.64 1.62 0.00 5.69 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.58 3.88 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.21 0.00 58 D 7.69 4.60 0.00 2.72 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.12 4.71 0.00 3.13 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 6.95 3.84 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.22 0.00 0.00 61 P 0.00 4.39 0.00 2.01 1.88 0.00 3.97 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.05 0.00 62 E 9.07 3.97 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 63 E 8.16 3.99 0.00 1.60 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.43 0.00 64 W 8.49 5.19 0.00 3.63 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.05 4.02 0.00 2.04 1.95 0.00 1.79 0.00 0.00 1.90 0.00 0.00 3.02 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.80 1.83 7.81 66 S 8.39 4.12 0.00 3.68 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 8.30 4.21 0.00 3.21 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 7.85 3.81 2.15 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.63 0.97 0.00 0.00 69 Q 8.31 4.00 0.00 2.19 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 70 K 8.32 3.92 0.00 2.04 2.20 0.00 1.44 0.00 0.00 1.50 0.00 0.00 2.52 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.63 1.72 7.81 71 N 8.88 4.74 0.00 3.15 3.25 0.00 0.00 7.68 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.53 4.28 0.00 2.10 2.22 0.00 3.15 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.89 0.00 73 D 8.38 4.29 0.00 2.68 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 F 7.78 3.52 0.00 2.49 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 F 7.40 4.72 0.00 3.25 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 7.65 4.40 0.00 1.94 1.79 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.18 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.47 7.81 77 K 7.71 4.04 0.00 1.75 1.56 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.21 1.42 7.81